LIPID MAPS

Structure Database (LMSD)

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Common Name

PCTR2

Systematic Name

16R-(S-cysteinylglycinyl)-17S-hydroxy-4Z,7Z,10Z,12E,14E,19Z-docosahexaenoic acid

Synonyms

Protectin Conjugates in Tissue Regeneration 2

LM ID

LMFA04040005

Formula

C₂₇H₄₀N₂O₆S

Exact Mass

Calculate m/z

520.26071

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Total synthesis of pro-resolving and tissue-regenerative Protectin sulfido-conjugates,
Tetrahedron Letts, 2015

DOI: 10.1016/j.tetlet.2015.09.020

String Representations

InChiKey (Click to copy)

WUKLNYKELYBPSU-WRSKGJTLSA-N

InChi (Click to copy)

InChI=1S/C27H40N2O6S/c1-2-3-14-17-23(30)24(36-21-22(28)27(35)29-20-26(33)34)18-15-12-10-8-6-4-5-7-9-11-13-16-19-25(31)32/h3,5-8,10-15,18,22-24,30H,2,4,9,16-17,19-21,28H2,1H3,(H,29,35)(H,31,32)(H,33,34)/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+/t22-,23-,24+/m0/s1

SMILES (Click to copy)

C(CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](C(=O)NCC(O)=O)N)[C@@H](O)C/C=C\CC)(=O)O